EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223344 - Nonocarboline B

ChEBI IDCHEBI:223344
ChEBI NameNonocarboline B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20N2O3
Net Charge0
Average Mass324.380
Monoisotopic Mass324.14739
SMILESCC(C)CCCC(=O)c1nc(C(=O)O)cc2c1nc1ccccc12
InChIInChI=1S/C19H20N2O3/c1-11(2)6-5-9-16(22)18-17-13(10-15(21-18)19(23)24)12-7-3-4-8-14(12)20-17/h3-4,7-8,10-11,20H,5-6,9H2,1-2H3,(H,23,24)
InChIKeyZFHBLUOMPDQKTD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nonomuraeaspecies (ncbitaxon:1883105) - PubMed (32192170)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Nonocarboline B (CHEBI:223344) is a harmala alkaloid (CHEBI:61379)
IUPAC Name 
1-(5-methylhexanoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid